UCSF

ZINC19453725

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 27 Yes

Popular Name: 7-[(2-fluorophenyl)methyl]-2-isopropyl-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(2-fluorophenyl)methyl]-2-iso…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 7.71 -25.71 1 5 1 43 371.48 4 ↓
Hi High (pH 8-9.5) 2.97 7.35 -8.71 0 5 0 41 370.472 4 ↓
Lo Low (pH 4.5-6) 2.97 10.02 -102.29 2 5 2 44 372.488 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.